1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane

C12H18 — CID 123216634

IUPAC1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane
SMILESCC1C2CC3CC4C(C)C1(C)C324
InChIInChI=1S/C12H18/c1-6-9-4-8-5-10-7(2)11(6,3)12(8,9)10/h6-10H,4-5H2,1-3H3
InChIKeyASIBBHVIHISTAB-UHFFFAOYSA-N
MW162.28 g/mol
LogP2.93
Rot. Bonds

About 1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane

1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane (PubChem CID 123216634) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane.

Molecular Properties

Compound Name1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane
PubChem CID123216634
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane
SMILESCC1C2CC3CC4C(C)C1(C)C324
InChIInChI=1S/C12H18/c1-6-9-4-8-5-10-7(2)11(6,3)12(8,9)10/h6-10H,4-5H2,1-3H3
InChIKeyASIBBHVIHISTAB-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol
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(1S,2S,4S)-5,5-dimethylbicyclo[2.1.1]hexane-2-carboxylic acid
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(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
dimethyl-[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
CID 162405466
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
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(2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane
CID 97289307
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
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Frequently Asked Questions

What is the IUPAC name of 1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane?
The IUPAC name of 1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane (CID 123216634) is 1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane.
What is the SMILES notation for 1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane?
The canonical SMILES for 1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane is CC1C2CC3CC4C(C)C1(C)C324.
What is the InChIKey of 1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane?
The InChIKey is ASIBBHVIHISTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-6-9-4-8-5-10-7(2)11(6,3)12(8,9)10/h6-10H,4-5H2,1-3H3.
What are the key properties of 1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane?
1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane has a molecular weight of 162.28 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane is sourced from PubChem (CID 123216634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).